Пакет: python-openbabel (2.4.1+dfsg-3)

[ Източник: openbabel  ]

Chemical toolbox library (python bindings)

Open Babel is a chemical toolbox designed to speak the many languages of chemical data. It allows one to search, convert, analyze, or store data from molecular modeling, chemistry, solid-state materials, biochemistry, or related areas. Features include:

 * Hydrogen addition and deletion
 * Support for Molecular Mechanics
 * Support for SMARTS molecular matching syntax
 * Automatic feature perception (rings, bonds, hybridization, aromaticity)
 * Flexible atom typer and perception of multiple bonds from atomic coordinates
 * Gasteiger-Marsili partial charge calculation

File formats Open Babel supports include PDB, XYZ, CIF, CML, SMILES, MDL Molfile, ChemDraw, Gaussian, GAMESS, MOPAC and MPQC.

This package contains the Python binding.

Етикети: Software Development: Python Development, Field: Chemistry, Implemented in: implemented-in::c++, role::shared-lib

Други пакети, свързани с python-openbabel

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  dep: libc6 (>= 2.17) [arm64]

  dep: libc6 (>= 2.4) [armhf, i386]

• dep: libgcc1 (>= 1:3.0) [arm64]

  GCC support library

  dep: libgcc1 (>= 1:3.4) [amd64, i386]

  dep: libgcc1 (>= 1:3.5) [armhf]

• dep: libgomp1 (>= 4.2.1)

  GCC OpenMP (GOMP) support library

• dep: libopenbabel5

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• dep: libpython2.7 (>= 2.7)

  Shared Python runtime library (version 2.7)

• dep: libstdc++6 (>= 5.2)

  GNU Standard C++ Library v3

• dep: python

  interactive high-level object-oriented language (Python2 version)

  dep: python (<< 2.8)

  dep: python (>= 2.7~)

• dep: zlib1g (>= 1:1.1.4)

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Архитектура	Големина на пакета	Големина след инсталиране	Файлове
amd64	646,3 кБ	4 191,0 кБ	[списък на файловете]
arm64	601,4 кБ	4 194,0 кБ	[списък на файловете]
armhf	557,6 кБ	3 168,0 кБ	[списък на файловете]
i386	647,2 кБ	4 163,0 кБ	[списък на файловете]